>compound Cyanidin-3,5-di-O-glucoside_Cyanidin-3,5-di-O-glucoside
#instrument UPLC Q-Tof Premier, Waters
>formula C27H31O16
#smiles c(c(c([o+1]2)c(OC(O5)C(C(C(C5CO)O)O)O)cc(c3OC(O4)C(C(C(C4CO)O)O)O)c(cc(c3)O)2)1)c(O)c(O)cc1
#RECORD LC-ESI-QTOF_train_data/PR100786.txt;LC-ESI-QTOF_train_data/PR100342.txt
>charge -1
>ionization [M-2H]-
>parentmass 609.14558

>collision 5-60
125.0234 35.47
147.0094 30.83
227.0353 32.48
255.0302 53.52
283.0253 230.8
284.0337 106.4
285.0411 278.7
446.086 101.7
447.0934 288.2
609.1456 252.7

>collision 5-60
287.0558 3122.0
449.1079 456.7
611.1612 644.1

